(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide

C19H28N2O2 — CID 97215879

IUPAC(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide
SMILESO=C(N[C@@H](CCCO)c1ccccc1)N1CCC[C@@H]1C1CCC1
InChIInChI=1S/C19H28N2O2/c22-14-6-11-17(15-7-2-1-3-8-15)20-19(23)21-13-5-12-18(21)16-9-4-10-16/h1-3,7-8,16-18,22H,4-6,9-14H2,(H,20,23)/t17-,18+/m0/s1
InChIKeyNOMUFKLFEIOYKF-ZWKOTPCHSA-N
MW316.44 g/mol
LogP3.47
Rot. Bonds6

About (2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide

(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide (PubChem CID 97215879) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide
PubChem CID97215879
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide
SMILESO=C(N[C@@H](CCCO)c1ccccc1)N1CCC[C@@H]1C1CCC1
InChIInChI=1S/C19H28N2O2/c22-14-6-11-17(15-7-2-1-3-8-15)20-19(23)21-13-5-12-18(21)16-9-4-10-16/h1-3,7-8,16-18,22H,4-6,9-14H2,(H,20,23)/t17-,18+/m0/s1
InChIKeyNOMUFKLFEIOYKF-ZWKOTPCHSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide (CID 97215879) is (2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide is O=C(N[C@@H](CCCO)c1ccccc1)N1CCC[C@@H]1C1CCC1.
What is the InChIKey of (2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide?
The InChIKey is NOMUFKLFEIOYKF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-14-6-11-17(15-7-2-1-3-8-15)20-19(23)21-13-5-12-18(21)16-9-4-10-16/h1-3,7-8,16-18,22H,4-6,9-14H2,(H,20,23)/t17-,18+/m0/s1.
What are the key properties of (2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide?
(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97215879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).